2-[(3-nitro-6-oxidanylidene-1H-pyridin-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(3-nitro-6-oxidanylidene-1H-pyridin-2-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(3-nitro-6-oxo-1H-pyridin-2-yl)methyl]benzonitrile CAS Name: 2-[(3-nitro-6-oxo-1H-pyridin-2-yl)methyl]benzonitrile IUPAC Name: 2-[(3-nitro-6-oxo-1H-pyridin-2-yl)methyl]benzonitrile Traditional Name: 2-[(6-keto-3-nitro-1H-pyridin-2-yl)methyl]benzonitrile Formula: C13H9N3O3 MolecularWeight: 255.22886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=C(C=CC(=O)N2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C(=C1)CC2=C(C=CC(=O)N2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H9N3O3/c14-8-10-4-2-1-3-9(10)7-11-12(16(18)19)5-6-13(17)15-11/h1-6H,7H2,(H,15,17)